[
  {
    "molid": "mol13751",
    "smiles": "CC1CCN(c2ccncc2)CC1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC1CCN(c2cc[nH+]cc2)CC1",
        "std_free_energy": -7.851467609405518,
        "relative_population": 0.41818321202564895
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC1CC[NH+](c2ccncc2)CC1",
        "std_free_energy": -8.181703567504883,
        "relative_population": 0.581816787974351
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CC1CC[NH+](c2cc[nH+]cc2)CC1",
        "std_free_energy": 7.840181827545166,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.56,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]